| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 20 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.42 | 9.04 | -39.27 | 2 | 3 | 1 | 33 | 312.528 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 7.7 | -5.96 | 1 | 3 | 0 | 28 | 311.52 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 9.35 | -93.76 | 3 | 3 | 2 | 34 | 313.536 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
